The CP2K project : input section GAUSSIAN

Section GAUSSIAN

Index of all sections. This section is located at __ROOT__%MOTION%FREE_ENERGY%METADYN%METAVAR%WALL%GAUSSIAN.

Parameters controlling the gaussian wall. This section can not be repeated and can not be optional.

Subsections

None

Section keywords

Keyword descriptions

WW
K
Specify the height of the gaussian: WW*e^(-((CV-POS)/sigma)^2)
This optional keyword expects a real. Default unit: [hartree].
SIGMA
SIGMA
Specify the width of the gaussian: WW*e^(-((CV-POS)/sigma)^2)
This optional keyword expects a real. Default unit: [internal_cp2k].


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